1,3-dimethyl-3a,4-dihydro-2H-benzimidazole

C9H14N2 — CID 66870043

IUPAC1,3-dimethyl-3a,4-dihydro-2H-benzimidazole
SMILESCN1CN(C)C2CC=CC=C21
InChIInChI=1S/C9H14N2/c1-10-7-11(2)9-6-4-3-5-8(9)10/h3-5,9H,6-7H2,1-2H3
InChIKeyYHEYCTZKVKCSLZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.03
Rot. Bonds

About 1,3-dimethyl-3a,4-dihydro-2H-benzimidazole

1,3-dimethyl-3a,4-dihydro-2H-benzimidazole (PubChem CID 66870043) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,3-dimethyl-3a,4-dihydro-2H-benzimidazole.

Molecular Properties

Compound Name1,3-dimethyl-3a,4-dihydro-2H-benzimidazole
PubChem CID66870043
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,3-dimethyl-3a,4-dihydro-2H-benzimidazole
SMILESCN1CN(C)C2CC=CC=C21
InChIInChI=1S/C9H14N2/c1-10-7-11(2)9-6-4-3-5-8(9)10/h3-5,9H,6-7H2,1-2H3
InChIKeyYHEYCTZKVKCSLZ-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3a,4-dihydro-2H-benzimidazole?
The IUPAC name of 1,3-dimethyl-3a,4-dihydro-2H-benzimidazole (CID 66870043) is 1,3-dimethyl-3a,4-dihydro-2H-benzimidazole.
What is the SMILES notation for 1,3-dimethyl-3a,4-dihydro-2H-benzimidazole?
The canonical SMILES for 1,3-dimethyl-3a,4-dihydro-2H-benzimidazole is CN1CN(C)C2CC=CC=C21.
What is the InChIKey of 1,3-dimethyl-3a,4-dihydro-2H-benzimidazole?
The InChIKey is YHEYCTZKVKCSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-10-7-11(2)9-6-4-3-5-8(9)10/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-3a,4-dihydro-2H-benzimidazole?
1,3-dimethyl-3a,4-dihydro-2H-benzimidazole has a molecular weight of 150.22 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3a,4-dihydro-2H-benzimidazole is sourced from PubChem (CID 66870043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).